#------------------------------------------------------------------------------
#$Date: 2023-03-24 18:37:27 +0200 (Fri, 24 Mar 2023) $
#$Revision: 282053 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/15/9011569.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9011569
loop_
_publ_author_name
'Mao, H. K.'
'Jephcoat, A. P.'
'Hemley, R. J.'
'Finger, L. W.'
'Zha, C. S.'
'Hazen, R. M.'
'Cox, D. E.'
_publ_section_title
;
 Synchrotron X-ray diffraction measurements of single-crystal hydrogen to
 26.5 Gigapascals
 Sample: at P = 21.4 GPa, T = 300 K
;
_journal_name_full               Science
_journal_page_first              1131
_journal_page_last               1133
_journal_paper_doi               10.1126/science.239.4844.1131
_journal_volume                  239
_journal_year                    1988
_chemical_compound_source        Synthetic
_chemical_formula_sum            H
_chemical_name_mineral           Hydrogen
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.308
_cell_length_b                   2.308
_cell_length_c                   3.703
_cell_volume                     17.083
_database_code_amcsd             0015435
_diffrn_ambient_pressure         2.14e+07
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    0.196
_cod_database_code               9011569
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
H 0.33333 0.66667 0.25000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 4515072